Materials Data on SnAsPd6 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1728361· OSTI ID:1728361

Pd6SnAs crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Pd, one Sn, and three equivalent As atoms. There are one shorter (2.74 Å) and three longer (2.84 Å) Pd–Pd bond lengths. The Pd–Sn bond length is 2.86 Å. All Pd–As bond lengths are 2.72 Å. In the second Pd site, Pd is bonded in a distorted body-centered cubic geometry to four equivalent Pd, three equivalent Sn, and one As atom. There are three shorter (2.69 Å) and one longer (2.77 Å) Pd–Pd bond lengths. All Pd–Sn bond lengths are 2.81 Å. The Pd–As bond length is 2.60 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to eight Pd and three equivalent Sn atoms. All Pd–Sn bond lengths are 3.12 Å. Sn is bonded in a distorted body-centered cubic geometry to fourteen Pd atoms. As is bonded in a body-centered cubic geometry to eight Pd atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1728361
• Report Number(s): mp-1218999
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Pd-Sn
SnAsPd6
crystal structure